1-(diaminomethylidene)-2-[4-(2-pyridin-4-ylethenyl)phenyl]guanidine

C15H16N6 — CID 168603584

IUPAC1-(diaminomethylidene)-2-[4-(2-pyridin-4-ylethenyl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(C=Cc2ccncc2)cc1
InChIInChI=1S/C15H16N6/c16-14(17)21-15(18)20-13-5-3-11(4-6-13)1-2-12-7-9-19-10-8-12/h1-10H,(H6,16,17,18,20,21)
InChIKeyDFVYTBMBQGMDCR-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.47
Rot. Bonds3

About 1-(diaminomethylidene)-2-[4-(2-pyridin-4-ylethenyl)phenyl]guanidine

1-(diaminomethylidene)-2-[4-(2-pyridin-4-ylethenyl)phenyl]guanidine (PubChem CID 168603584) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-(2-pyridin-4-ylethenyl)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-(2-pyridin-4-ylethenyl)phenyl]guanidine
PubChem CID168603584
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name1-(diaminomethylidene)-2-[4-(2-pyridin-4-ylethenyl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(C=Cc2ccncc2)cc1
InChIInChI=1S/C15H16N6/c16-14(17)21-15(18)20-13-5-3-11(4-6-13)1-2-12-7-9-19-10-8-12/h1-10H,(H6,16,17,18,20,21)
InChIKeyDFVYTBMBQGMDCR-UHFFFAOYSA-N
XLogP1.47
TPSA115.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(diaminomethylidene)-2-[4-(2-pyridin-4-ylethenyl)phenyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[4-(2-pyridin-4-ylethenyl)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[4-(2-pyridin-4-ylethenyl)phenyl]guanidine (CID 168603584) is 1-(diaminomethylidene)-2-[4-(2-pyridin-4-ylethenyl)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-(2-pyridin-4-ylethenyl)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-(2-pyridin-4-ylethenyl)phenyl]guanidine is NC(N)=N/C(N)=N/c1ccc(C=Cc2ccncc2)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-(2-pyridin-4-ylethenyl)phenyl]guanidine?
The InChIKey is DFVYTBMBQGMDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c16-14(17)21-15(18)20-13-5-3-11(4-6-13)1-2-12-7-9-19-10-8-12/h1-10H,(H6,16,17,18,20,21).
What are the key properties of 1-(diaminomethylidene)-2-[4-(2-pyridin-4-ylethenyl)phenyl]guanidine?
1-(diaminomethylidene)-2-[4-(2-pyridin-4-ylethenyl)phenyl]guanidine has a molecular weight of 280.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-(2-pyridin-4-ylethenyl)phenyl]guanidine is sourced from PubChem (CID 168603584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).